SCHEMBL14367253

SCHEMBL14367253

CN1CCC(Cc2nccs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.38
MAPT P10636 1/20 0.37
NCF1 P14598 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRM5 P08912 1/20 0.37
ALOX15 P16050 1/20 0.36
CYP3A4 P08684 1/20 0.36
SCN9A Q15858 1/20 0.36
CYP2D6 P10635 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7392193 0.84
SCHEMBL2820598 0.80 EPHX2 (0.45) HRH4LTA4HTSHRCHRM2CHRM1
SCHEMBL17760478 0.80 CHRM2 (0.41) LTA4HTSHRCHRM2CHRM1CHRM3
SCHEMBL38662837 0.80 CNR1 (0.39) LTA4HTSHRMAPTCHRM2CHRM1
SCHEMBL30779509 0.79 PDE8B (0.39) LTA4HMAPT
SCHEMBL8562910 0.79 POLB (0.44) HRH4LTA4HTSHRMAPTCHRM2
SCHEMBL16982095 0.76 LTA4H (0.43) HRH4LTA4HTSHRMAPTALOX15
SCHEMBL28165548 0.76 CHRM2 (0.53) HRH4HRH3TSHRCHRM2CHRM1
SCHEMBL4773996 0.74 GPR119 (0.51) CYP3A4
SCHEMBL30779612 0.74 SIGMAR1 (0.41) LTA4HMAPTALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 US disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 US disclosed